SCHEMBL4494376

SCHEMBL4494376

CCc1c(C(=O)OC(C)(C)C)[nH]c(C=O)c1C(=O)OC

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.79
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 3/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL94996 0.88 IGF1R (1.00) IGF1RALDH1A1KMT2APOLBLMNA
SCHEMBL13919302 0.88 IGF1R (0.76) IGF1RALDH1A1KMT2APOLBRAB9A
SCHEMBL4208158 0.88 IGF1R (0.76) IGF1RALDH1A1KMT2APOLBLMNA
SCHEMBL4498917 0.83 IGF1R (0.54) IGF1RALDH1A1KMT2APOLBNPSR1
SCHEMBL14195910 0.82 IGF1R (0.80) IGF1RALDH1A1KMT2APOLBHPGD
SCHEMBL14142077 0.82 IGF1R (0.56) IGF1RALDH1A1KMT2APOLBNPSR1
SCHEMBL13865136 0.82 IGF1R (0.71) IGF1RALDH1A1KMT2APOLBRAB9A
SCHEMBL4205764 0.81 IGF1R (0.66) IGF1RALDH1A1KMT2APOLB
SCHEMBL13933186 0.80 IGF1R (0.51) IGF1RALDH1A1KMT2APOLBNPSR1
SCHEMBL4205450 0.80 IGF1R (0.71) IGF1RALDH1A1KMT2APOLBNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
EP-1651599-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP disclosed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US disclosed
EP-1651599-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP disclosed
WO-2005009957-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060189577-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 IGF1R 102/4885ALDH1A1 2755/4885KMT2A 1302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.